Name | Value |
---|---|
InChI=1S/C10H12O3/c1-3-13-10(11)8-6-4-5-7-9(8)12-2/h4-7H,3H2,1-2H3 | |
FNODWEPAWIJGPM-UHFFFAOYSA-N | |
C10H12O3 | |
180.078644244 | |
O=C(OCC)C=1C=CC=CC1OC |
External Identifier | Value |
---|---|
7335-26-4 | |
81784 | |
21172673 |
Name | Value |
---|---|
LU094955 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
180.0786 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
75 | |
17500 | |
Acquity BEH C18 1.7um, 2.1x150mm (Waters) | |
90/10 at 0-2 min, 0/100 at 15-20 min, 90/10 at 20.1-30 min | |
0.20 mL/min | |
16.579 min | |
0.1% formic acid | |
methanol | |
39000540.38086 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
2.077312179548224 | |
0.5993855959624933 | |
179.0714 | |
[M-H]- | |
0.17733708452882535 ppm | |
3.17559999984951E-5 Da |